5HIA
Human hypoxanthine-guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.718, 97.606, 130.329 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.607 - 1.773 |
| R-factor | 0.2072 |
| Rwork | 0.207 |
| R-free | 0.23150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gep |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.132 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.610 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.099 | 0.892 |
| Number of reflections | 86593 | |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 99.7 | 95.8 |
| Redundancy | 7.23 | 6.92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.3 M sodium acetate, 17.5% PEG 3350 |
